Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | NPC1 | O15118 | 5/20 | 0.38 |
| ▸ | RAB9A | P51151 | 5/20 | 0.38 |
| ▸ | AHR | P35869 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.36 |
| ▸ | RPA1 | P27694 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | MARS1 | P56192 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | PPP1CA | P62136 | 1/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL21753512 | 0.86 | KMT2A (0.39) | KDM4EALDH1A1KMT2AHPGDHSD17B10 | |
| SCHEMBL29155065 | 0.83 | KDM4E (0.48) | SMN1; SMN2MAPTNPC1RAB9AKDM4E | |
| SCHEMBL25035787 | 0.82 | F12 (0.35) | CYP1A2HIF1ASMN1; SMN2MAPTNPC1 | |
| SCHEMBL29902500 | 0.76 | ADORA2A (0.42) | KDM4EALDH1A1HPGDGAAADORA2A | |
| SCHEMBL1431280 | 0.73 | ADORA2A (0.39) | RAB9AKDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL21785967 | 0.72 | NPC1 (0.41) | SMN1; SMN2MAPTNPC1RAB9AAHR | |
| SCHEMBL25035751 | 0.72 | F12 (0.35) | KMT2AADORA2AADORA1 | |
| SCHEMBL19207144 | 0.71 | SMN1; SMN2 (0.47) | SMN1; SMN2MAPTNPC1RAB9AAHR | |
| SCHEMBL10463164 | 0.70 | NPC1 (0.43) | SMN1; SMN2MAPTNPC1RAB9AAHR | |
| SCHEMBL21753514 | 0.70 | ADORA3 (0.51) | MAPTNPC1RAB9AKDM4EALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117561260-A | Heterocyclic compound, preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2024-02-13 | — | — | CN | disclosed |
| WO-2023016296-A1 | HETEROCYCLIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2023-02-16 | — | — | WO | disclosed |